{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.79141 2.530899 1.169625 ] [ 2.427567 4.27143 3.28825 ] [ 4.049049 2.026656 0.8582536 ] [ 3.63347 2.471275 3.089518 ] [ 3.6938 4.301317 1.502863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.79141e-10 2.530899e-10 1.169625e-10 ] [ 2.427567e-10 4.27143e-10 3.28825e-10 ] [ 4.049049e-10 2.026656e-10 8.582536e-11 ] [ 3.63347e-10 2.471275e-10 3.089518e-10 ] [ 3.6938e-10 4.301317e-10 1.502863e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.910578 -0.864433 -1.4394234 ] [ -4.2582732 3.6310103 3.8944713 ] [ 2.5899839 -3.0279079 -3.452269 ] [ 2.6520827 -5.548555 5.6642049 ] [ 2.9267846 5.8098855 -4.6669838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.265436645414823e-09 -1.384974342848006e-09 -2.306210518912447e-09 ] [ -6.822505766019202e-09 5.817519812543994e-09 6.239630867236583e-09 ] [ 4.149611652828405e-09 -4.851243247315625e-09 -5.531144680512595e-09 ] [ 4.24910489836814e-09 -8.889765100222943e-09 9.075056666200801e-09 ] [ 4.689225860237479e-09 9.30846271762492e-09 -7.477332334012343e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3926593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.504869913759969e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7471869 2.6413153 1.3575557 ] [ 2.5968883 4.2644983 3.2530291 ] [ 4.3271402 2.2156286 1.0224402 ] [ 3.3955308 1.9311401 3.2884412 ] [ 3.5285499 4.5489947 0.9870434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7471869e-10 2.6413153e-10 1.3575557e-10 ] [ 2.5968883e-10 4.2644983e-10 3.2530291e-10 ] [ 4.3271402e-10 2.2156286e-10 1.0224402e-10 ] [ 3.3955308e-10 1.9311401e-10 3.2884412e-10 ] [ 3.5285499e-10 4.5489947e-10 9.870434e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-05 1.15e-05 -8.1e-06 ] [ 2.23e-05 -1.57e-05 -1e-05 ] [ -3.1e-05 2.66e-05 6.5e-06 ] [ -1.56e-05 4.31e-05 -2.51e-05 ] [ -2.66e-05 -6.55e-05 3.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-14 1.84250311392e-14 -1.297763062848e-14 ] [ 3.572853864384e-14 -2.515417294656e-14 -1.6021766208e-14 ] [ -4.96674752448e-14 4.261789811328e-14 1.04141480352e-14 ] [ -2.499395528448e-14 6.905381235648e-14 -4.021463318208e-14 ] [ -4.261789811328e-14 -1.049425686624e-13 5.879988198335999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }